MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Tb1 0 -4.427 'Im-3m' 229 MatHub3d-73816-Tb1 Band
Te2Ti2 0 -17.264 'P6_3/mmc' 194 MatHub3d-73869-Te2Ti2 Band
Te1U1 0 -15.130 'Pm-3m' 221 MatHub3d-73860-Te1U1 Band
Te2Zr2 0 -26.734 'P6_3/mmc' 194 MatHub3d-73876-Te2Zr2 Band
Th1 0 -7.443 'I4/mmm' 139 MatHub3d-73919-Th1 Band
Tl1 0 -2.207 'Fm-3m' 225 MatHub3d-73948-Tl1 Band
Ca2O10Si2Sn2 3.670 -113.813 'C2/c' 15 MatHub3d-25365-Ca2O10Si2Sn2 Transport
Tl2 0 -4.453 'P6_3/mmc' 194 MatHub3d-73954-Tl2 Band
Tl4Yb8 0 -24.987 'Pnma' 62 MatHub3d-73963-Tl4Yb8 Band
Tl6Yb16 0 -43.710 'P-1' 2 MatHub3d-73964-Tl6Yb16 Band
Yb1Zn1 0 -2.369 'Pm-3m' 221 MatHub3d-74028-Yb1Zn1 Band
Yb2Zn17 0 -12.759 'R-3m' 166 MatHub3d-74032-Yb2Zn17 Band
Hf1 0 -9.744 'Im-3m' 229 MatHub3d-53553-Hf1 Band
Hf4Mn8 0 -91.366 'P6_3/mmc' 194 MatHub3d-53776-Hf4Mn8 Band
Hf2Mo4 0 -53.218 'Fd-3m' 227 MatHub3d-53684-Hf2Mo4 Band
B8H36Mg2O32 5.238 -454.259 'P-1' 2 MatHub3d-10429-B8H36Mg2O32 Band
Hf2Ni4 0 -31.479 'Fd-3m' 227 MatHub3d-53698-Hf2Ni4 Band
Y2Zn17 0 -23.408 'R-3m' 166 MatHub3d-74022-Y2Zn17 Band
La2Zn17 0 -20.214 'R-3m' 166 MatHub3d-58202-La2Zn17 Band
Pr2Zn17 0 -20.272 'R-3m' 166 MatHub3d-72029-Pr2Zn17 Band
Nd2Zn17 0 -20.233 'R-3m' 166 MatHub3d-67215-Nd2Zn17 Band
Sm2Zn17 0 -20.017 'R-3m' 166 MatHub3d-73675-Sm2Zn17 Band
Tb2Zn17 0 -19.675 'R-3m' 166 MatHub3d-73829-Tb2Zn17 Band
Ho2Zn17 0 -19.369 'R-3m' 166 MatHub3d-54597-Ho2Zn17 Band
Tm2Zn17 0 -19.050 'R-3m' 166 MatHub3d-73972-Tm2Zn17 Band